# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4995928f-2554-4077-94d4-36b01a6f5fc9/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Tb4Se3N2 / C2/m (12) / materials id 30291](https://mdr.nims.go.jp/datasets/a052b199-d5b7-4eaa-8bef-e8791c3cefec) ## Fulltext elements: [N, Se, Tb]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [14.01, 78.96, 158.9]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.148235627391570e+01, -6.199894121093525e+01, 3.004355540543484e-02, -1.326439408490863e+03, 1.517886553873838e+01, 4.485896470266429e+02, 3.103322152414677e+04, 0.000000000000000e+00, -4.527849048270721e+02, 0.000000000000000e+00, -2.955753530153343e+05, 0.000000000000000e+00, -5.220847771880497e+06, 1.648101729881092e+02, -2.158724465681396e+03, 8.658142065194913e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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